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Currently displaying 22141 - 22160 of 30225 publications

Sectorization of a Lamellar polymer crystal studied by dynamic Monte Carlo simulations

W Hu, D Frenkel, VBF Mathot

Macromolecules

(2003)

549

(doi: 10.1021/ma0258531)

Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid:base complexes

N Shan, AD Bond, W Jones

New Journal of Chemistry

(2003)

365

(doi: 10.1039/b208686g)

Calculation of the melting point of NaCl by molecular simulation

J Anwar, D Frenkel, MG Noro

Journal of Chemical Physics

(2003)

118

728

(doi: 10.1063/1.1522375)

Self-consistent determination of the transition state for protein folding: application to a fibronectin type III domain.

E Paci, J Clarke, A Steward, M Vendruscolo, M Karplus

Proceedings of the National Academy of Sciences of the United States of America

(2003)

100

394

(doi: 10.1073/pnas.232704999)

Vibrational relaxation in potentially reactive collisions: Temperature and isotope effects

I Smith

IEEE Journal of Quantum Electronics

(2003)

696

(doi: 10.1109/jqe.1975.1068699)

Relaxation of HCl(v = 1) and DCl(v = 1) by Cl and O atoms

R Brown, G Glass, I Smith

IEEE Journal of Quantum Electronics

(2003)

695

(doi: 10.1109/jqe.1975.1068742)

VIBRATIONAL RELAXATION OF CARBON-MONOXIDE (4 LESS-THAN-OR-EQUAL-TO 11) AT 85 K

C Wittig, I Smith

IEEE Journal of Quantum Electronics

(2003)

QE 9

196

(doi: 10.1109/jqe.1973.1077350)

Structures and thermodynamic phase transitions for oxygen and silver oxide phases on Ag{1 1 1}

A Michaelides, M-L Bocquet, P Sautet, A Alavi, DA King

Chemical Physics Letters

(2003)

367

344

(doi: 10.1016/S0009-2614(02)01699-8)

A convenient method for the synthesis of dehydroquinic acid

C Le Sann, C Abell, AD Abell

Synthetic Communications

(2003)

527

(doi: 10.1081/scc-120015805)

A tilt-dependent diffusional potential energy landscape: benzyne on Ir{100}

S Yamagishi, SJ Jenkins, DA King

Chemical Physics Letters

(2003)

367

116

(doi: 10.1016/s0009-2614(02)01549-x)

Membrane protein simulations: Ion channels and bacterial outer membrane proteins

C Domene, PJ Bond, MS Sansom

Advances in Protein Chemistry

(2003)

159

(doi: 10.1016/S0065-3233(03)66005-5)

Structure of solid monolayers and multilayers of n-hexane on graphite

M Krishnan, S Balasubramanian, S Clarke

Journal of Chemical Sciences

(2003)

115

663

(doi: 10.1007/bf02708256)

Modelling of signalling via G-protein coupled receptors: pathway-dependent agonist potency and efficacy.

CY Chen, Y Cordeaux, SJ Hill, JR King

Bulletin of Mathematical Biology

(2003)

933

(doi: 10.1016/S0092-8240(03)00055-7)

Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations of 1,3-[(PhCC)₂Sb]₂(CH₂)₃, As(CCPh)₃, R₂AsCH₂AsR₂ [R = Me₃SiCC-, (Me₃Si)₂N- and 2-SPy] with π-stacking in the latter

MA Paver, JS Joy, SJ Coles, MB Hursthouse, JE Davies

Polyhedron

(2003)

211

(doi: 10.1016/s0277-5387(02)01339-6)

Organo-functionalised arsine and stibine organometallics; syntheses and structural characterisations (see abstract)

MA Paver, JS Joy, SJ Coles, MB Hursthouse, JE Davies

Polyhedron

(2003)

211

(doi: 10.1016/S0277-5387(02)01339-6)

Rotational reorientation dynamics of nile blue A and oxazine 720 in protic solvents